1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C13H15ClF3N5O2 — CID 175955965

IUPAC1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC1CN(c2n[nH]c3cc(Cl)ncc23)CC1N.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14ClN5.C2HF3O2/c1-6-4-17(5-8(6)13)11-7-3-14-10(12)2-9(7)15-16-11;3-2(4,5)1(6)7/h2-3,6,8H,4-5,13H2,1H3,(H,15,16);(H,6,7)
InChIKeyCYAVUOGINDPFMP-UHFFFAOYSA-N
MW365.74 g/mol
LogP2.03
Rot. Bonds1

About 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 175955965) has the molecular formula C13H15ClF3N5O2 and a molecular weight of 365.74 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID175955965
Molecular FormulaC13H15ClF3N5O2
Molecular Weight365.74 g/mol
Exact Mass365.09
IUPAC Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC1CN(c2n[nH]c3cc(Cl)ncc23)CC1N.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14ClN5.C2HF3O2/c1-6-4-17(5-8(6)13)11-7-3-14-10(12)2-9(7)15-16-11;3-2(4,5)1(6)7/h2-3,6,8H,4-5,13H2,1H3,(H,15,16);(H,6,7)
InChIKeyCYAVUOGINDPFMP-UHFFFAOYSA-N
XLogP2.03
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 175955965) is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is CC1CN(c2n[nH]c3cc(Cl)ncc23)CC1N.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CYAVUOGINDPFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5.C2HF3O2/c1-6-4-17(5-8(6)13)11-7-3-14-10(12)2-9(7)15-16-11;3-2(4,5)1(6)7/h2-3,6,8H,4-5,13H2,1H3,(H,15,16);(H,6,7).
What are the key properties of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 365.74 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175955965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).